N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide

C13H22N2O — CID 2417586

IUPACN'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide
SMILESC[C@@H]1CC(NNC(=O)C2CC2)=CC(C)(C)C1
InChIInChI=1S/C13H22N2O/c1-9-6-11(8-13(2,3)7-9)14-15-12(16)10-4-5-10/h8-10,14H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyRJICAWJVWGXEMY-SECBINFHSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds3

About N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide

N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide (PubChem CID 2417586) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide
PubChem CID2417586
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide
SMILESC[C@@H]1CC(NNC(=O)C2CC2)=CC(C)(C)C1
InChIInChI=1S/C13H22N2O/c1-9-6-11(8-13(2,3)7-9)14-15-12(16)10-4-5-10/h8-10,14H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyRJICAWJVWGXEMY-SECBINFHSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide?
The IUPAC name of N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide (CID 2417586) is N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide.
What is the SMILES notation for N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide?
The canonical SMILES for N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide is C[C@@H]1CC(NNC(=O)C2CC2)=CC(C)(C)C1.
What is the InChIKey of N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide?
The InChIKey is RJICAWJVWGXEMY-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-6-11(8-13(2,3)7-9)14-15-12(16)10-4-5-10/h8-10,14H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide?
N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide has a molecular weight of 222.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide is sourced from PubChem (CID 2417586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).